SCHEMBL270794

SCHEMBL270794

CC(C)(C)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 1.00
HRH3 Q9Y5N1 10/20 0.82
PSMB1 P20618 3/20 0.79
PSMB5 P28074 3/20 0.79
PSMB2 P49721 3/20 0.79
MEN1 O00255 1/20 0.73
KMT2A Q03164 1/20 0.73
LTA4H P09960 3/20 0.66
MAOB P27338 5/20 0.64

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17694433 0.98 KDM4E (0.97) KDM4EHRH3PSMB1PSMB5PSMB2
SCHEMBL12780029 0.98 KDM4E (0.97) KDM4EHRH3PSMB1PSMB5PSMB2
SCHEMBL17300729 0.97 KDM4E (0.94) KDM4EHRH3PSMB1PSMB5PSMB2
SCHEMBL10212085 0.92 HRH3 (0.97) KDM4EHRH3PSMB1PSMB5PSMB2
SCHEMBL10212086 0.90 HRH3 (1.00) KDM4EHRH3PSMB1PSMB5PSMB2
SCHEMBL19716249 0.90 PSMB1 (0.97) KDM4EHRH3PSMB1PSMB5PSMB2
SCHEMBL678629 0.89 KDM4E (0.79) KDM4EHRH3PSMB1PSMB5PSMB2
SCHEMBL17300724 0.89 HRH3 (0.91) KDM4EHRH3PSMB1PSMB5PSMB2
SCHEMBL7490529 0.88 HRH3 (1.00) KDM4EHRH3MAOB
SCHEMBL25531140 0.86 KDM4E (0.74) KDM4EHRH3PSMB1PSMB5PSMB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
US-11524955-B2 2,4-diamino-pyrimidine compounds and method for making and using the compounds RIGEL PHARMACEUTICALS, INC. (US) 2022-12-13 US disclosed
US-11365196-B2 FGFR inhibitor and application thereof BETTA PHARMACEUTICALS CO., LTD. (CN) 2022-06-21 US disclosed
US-20210171554-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS TO TREAT MEDICAL DISORDERS G1 THERAPEUTICS, INC. (US) 2021-06-10 US disclosed
US-20210130353-A1 FGFR INHIBITOR AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2021-05-06 US disclosed
US-20200299276-A1 2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2020-09-24 US disclosed
US-10710983-B2 2,4-diamino-pyrimidine compounds and method for making and using the compounds RIGEL PHARMACEUTICALS, INC. (US) 2020-07-14 US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 US disclosed
US-20080188454-A1 angiogenesis and/or cell proliferation, carcinoma, myeloid leukemia, endometriosis; inhibitors of the receptor protein tyrosine kinase; N3-(3-cyclopentyl-1,2,3,4,5,6-hexahydrobenzo[d]azocin-8-yl)-1-(6-fluoroquinazolin-4-yl)-1H-1,2,4-triazole-3,5-diamine RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
US-20080176847-A1 BRIDGED BICYCLIC ARYL AND BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-24 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 KDM4E 1689/4885HRH3 1487/4885PSMB1 4593/4885
US-11524955-B2 2,4-diamino-pyrimidine compounds and method for making and using the compounds IRAK4, IRAK1, IRAK3 KDM4E 817/4885HRH3 132/4885PSMB1 1515/4885
US-11365196-B2 FGFR inhibitor and application thereof FGFR1, FGFR4, FGFR2 KDM4E 1695/4885HRH3 4083/4885PSMB1 4494/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 KDM4E 1689/4885HRH3 1487/4885PSMB1 4593/4885
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 KDM4E 4036/4885HRH3 1145/4885PSMB1 2796/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 KDM4E 1689/4885HRH3 1487/4885PSMB1 4593/4885
US-20230382909-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 KDM4E 4157/4885HRH3 3296/4885PSMB1 4526/4885
US-20080176847-A1 BRIDGED BICYCLIC ARYL AND BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, ERBB2, TYRO3 KDM4E 3533/4885HRH3 846/4885PSMB1 2778/4885
US-20210171554-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS TO TREAT MEDICAL DISORDERS CDK6, ESR1, CDK4 KDM4E 543/4885HRH3 2518/4885PSMB1 1043/4885
US-20210130353-A1 FGFR INHIBITOR AND APPLICATION THEREOF FGFR1, FGFR4, FGFR2 KDM4E 1724/4885HRH3 4216/4885PSMB1 4587/4885
US-20230374008-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 KDM4E 4157/4885HRH3 3296/4885PSMB1 4526/4885
US-10710983-B2 2,4-diamino-pyrimidine compounds and method for making and using the compounds IRAK4, IRAK1, IRAK2 KDM4E 516/4885HRH3 176/4885PSMB1 1739/4885
US-20200299276-A1 2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS IRAK4, IRAK1, IRAK3 KDM4E 788/4885HRH3 147/4885PSMB1 1463/4885
US-20080188454-A1 angiogenesis and/or cell proliferation, carcinoma, myeloid leukemia, endometriosis; inhibitors of the receptor protein tyrosine kinase; N3-(3-cyclopentyl-1,2,3,4,5,6-hexahydrobenzo[d]azocin-8-yl)-1-(6-fluoroquinazolin-4-yl)-1H-1,2,4-triazole-3,5-diamine AXL, FLT3, FLT1 KDM4E 1218/4885HRH3 2092/4885PSMB1 2728/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.